xxx 
Array
(
    [0] => Array
        (
            [id] => 754
            [topology] => 4<sup>3</sup>T164
            [link_rcsr] => 
            [in_col] => 3
            [transitivity] => [3443]
            [space_group] => P213
            [pearson] => cP20
            [cn] => 4
            [Year] => 2016
            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T164
            [sp_atoms] => 
            [caid] => 164
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.347
            [e_gap] => 
            [energy] => 0.594
            [bulk_mod] => 400.8
            [shear_mod] => 405.2
            [vicker_hard] => 73.2
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

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            [topology] => 4<sup>3</sup>T164
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            [pearson] => cP20
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            [cn_sort] => 004-
            [topology_str] => 4<sup>3</sup>T164
            [sp_atoms] => 
            [caid] => 164
            [nn] => 1
            [name] => C<sub>20</sub>-T
            [pressure] => 
            [density] => 3.298
            [e_gap] => 5.44
            [energy] => 
            [bulk_mod] => 395
            [shear_mod] => 427
            [vicker_hard] => 72.76
            [ref_file] => /References/2016_JPhysCondMat_28_475402
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            [ref] => 
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General information SACADA Check your allotrope Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 

SACADA Database Code: 164

Topology: 43T164

# of independent nodes (IN): 3
Transitivity: [3443]
Space Group: P213
Pearson: cP20
Coordination Number (CN): 4

Year: 2016

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Style:  Wireframe   Capped sticks   Spacefill   Ball&Sticks
Labels:  No Labels   All Atoms
Translations:  {1x1x1}   {2x2x2}  {3x3x3}
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Data

Name

Pressure, GPa

Density, g/cm³

Gap, eV

Relative energy, eV/atom

Bulk, GPa

Shear, GPa

Vickers, GPa

Refs
43T164 (SACADA #164)3.3470.594400.8405.273.2SACADA¹
C20-T3.2985.4439542772.76doi: 10.1088/0953-8984/28/47/475402 
Elasticity tensor (kBar)¹

9899.49461062.39641062.3964-0.00000.00000.0000
1062.39649899.49461062.39640.0000-0.00000.0000
1062.39641062.39649899.4946-0.00000.0000-0.0000
-0.0000-0.0000-0.00003824.32000.00000.0000
0.0000-0.00000.00000.00003824.32000.0000
-0.0000-0.0000-0.00000.00000.00003824.3200

¹ We apply the density functional theory (DFT) approach by using the Vienna Ab Initio Simulation Package (VASP) to calculate the total energy and properties of carbon allotropes.

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© 2016 – 2025 SCTMS  Team References support@sacada.info Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976 
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